mindsponge.data

API Name

Description

Supported Platforms

mindsponge.data.atom37_to_frames

Computes the torsion angle of up to 8 rigid groups for each residue, shape is \([N_{res}, 8, 12]\), where 8 is indicates that each residue can be divided into up to 8 rigid groups according to the dependence of the atom on the torsion angle, there are 1 backbone frame and 7 side-chain frames.

Ascend GPU CPU

mindsponge.data.atom37_to_torsion_angles

This function calculates the seven torsion angles of each residue and encodes them in sine and cosine.

Ascend GPU CPU